KEGG   COMPOUND: C04687
Entry
C04687                      Compound                               
Name
(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
Formula
C7H12O4
Exact mass
160.0736
Mol weight
160.1678
Structure
Reaction
R05315
Enzyme
1.1.1.166
Other DBs
PubChem: 7268
ChEBI: 15566
NIKKAJI: J2.752.931C
LinkDB
KCF data

ATOM        11
            1   C1y C    30.5057  -20.3828
            2   C1x C    31.7296  -21.0813
            3   C1x C    29.3009  -21.0813
            4   C6a C    30.5057  -18.9858
            5   C1y C    31.7296  -22.4911
            6   C1x C    29.3009  -22.4911
            7   O6a O    31.7105  -18.2938
            8   O6a O    29.2946  -18.3001
            9   C1y C    30.5057  -23.2025
            10  O1a O    32.9409  -23.1832
            11  O1a O    30.5057  -24.5931
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1 #Up
            10    9  11 1 #Up
            11    6   9 1

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